(5-chloro-1H-indazol-7-yl)-(3-methyloxetan-3-yl)methanol

C12H13ClN2O2 — CID 134373742

IUPAC(5-chloro-1H-indazol-7-yl)-(3-methyloxetan-3-yl)methanol
SMILESCC1(C(O)c2cc(Cl)cc3cn[nH]c23)COC1
InChIInChI=1S/C12H13ClN2O2/c1-12(5-17-6-12)11(16)9-3-8(13)2-7-4-14-15-10(7)9/h2-4,11,16H,5-6H2,1H3,(H,14,15)
InChIKeyUBYWFDIXHYAUGZ-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.29
Rot. Bonds2

About (5-chloro-1H-indazol-7-yl)-(3-methyloxetan-3-yl)methanol

(5-chloro-1H-indazol-7-yl)-(3-methyloxetan-3-yl)methanol (PubChem CID 134373742) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is (5-chloro-1H-indazol-7-yl)-(3-methyloxetan-3-yl)methanol.

Molecular Properties

Compound Name(5-chloro-1H-indazol-7-yl)-(3-methyloxetan-3-yl)methanol
PubChem CID134373742
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name(5-chloro-1H-indazol-7-yl)-(3-methyloxetan-3-yl)methanol
SMILESCC1(C(O)c2cc(Cl)cc3cn[nH]c23)COC1
InChIInChI=1S/C12H13ClN2O2/c1-12(5-17-6-12)11(16)9-3-8(13)2-7-4-14-15-10(7)9/h2-4,11,16H,5-6H2,1H3,(H,14,15)
InChIKeyUBYWFDIXHYAUGZ-UHFFFAOYSA-N
XLogP2.29
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indazol-7-yl)-(3-methyloxetan-3-yl)methanol?
The IUPAC name of (5-chloro-1H-indazol-7-yl)-(3-methyloxetan-3-yl)methanol (CID 134373742) is (5-chloro-1H-indazol-7-yl)-(3-methyloxetan-3-yl)methanol.
What is the SMILES notation for (5-chloro-1H-indazol-7-yl)-(3-methyloxetan-3-yl)methanol?
The canonical SMILES for (5-chloro-1H-indazol-7-yl)-(3-methyloxetan-3-yl)methanol is CC1(C(O)c2cc(Cl)cc3cn[nH]c23)COC1.
What is the InChIKey of (5-chloro-1H-indazol-7-yl)-(3-methyloxetan-3-yl)methanol?
The InChIKey is UBYWFDIXHYAUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-12(5-17-6-12)11(16)9-3-8(13)2-7-4-14-15-10(7)9/h2-4,11,16H,5-6H2,1H3,(H,14,15).
What are the key properties of (5-chloro-1H-indazol-7-yl)-(3-methyloxetan-3-yl)methanol?
(5-chloro-1H-indazol-7-yl)-(3-methyloxetan-3-yl)methanol has a molecular weight of 252.70 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indazol-7-yl)-(3-methyloxetan-3-yl)methanol is sourced from PubChem (CID 134373742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).